2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride

C21H27ClN2O2 — CID 138401573

IUPAC2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1c2ccccc2N(C)c2ccccc21.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-4-23(5-2)14-15-25-21(24)20-16-10-6-8-12-18(16)22(3)19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H
InChIKeyGUQBDMAZUPCILU-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.21
Rot. Bonds6

About 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride

2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride (PubChem CID 138401573) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride
PubChem CID138401573
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1c2ccccc2N(C)c2ccccc21.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-4-23(5-2)14-15-25-21(24)20-16-10-6-8-12-18(16)22(3)19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H
InChIKeyGUQBDMAZUPCILU-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride (CID 138401573) is 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride is CCN(CC)CCOC(=O)C1c2ccccc2N(C)c2ccccc21.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride?
The InChIKey is GUQBDMAZUPCILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-4-23(5-2)14-15-25-21(24)20-16-10-6-8-12-18(16)22(3)19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride?
2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride is sourced from PubChem (CID 138401573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).